Geometry & MOs

Info

ID:	29110
PubChem CID:	831664
Reduced:	ClNSO4H12C14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	4.43
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] 2-oxochromene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations